ChemSpider 2D Image | 2-Isocyanato-1-{[2-(methylsulfonyl)ethyl]sulfonyl}pyrrolidine | C8H14N2O5S2

2-Isocyanato-1-{[2-(methylsulfonyl)ethyl]sulfonyl}pyrrolidine

  • Molecular FormulaC8H14N2O5S2
  • Average mass282.337 Da
  • Monoisotopic mass282.034424 Da
  • ChemSpider ID34124889

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Isocyanato-1-{[2-(methylsulfonyl)ethyl]sulfonyl}pyrrolidin [German] [ACD/IUPAC Name]
2-Isocyanato-1-{[2-(methylsulfonyl)ethyl]sulfonyl}pyrrolidine [ACD/IUPAC Name]
2-Isocyanato-1-{[2-(méthylsulfonyl)éthyl]sulfonyl}pyrrolidine [French] [ACD/IUPAC Name]
Pyrrolidine, 2-isocyanato-1-[[2-(methylsulfonyl)ethyl]sulfonyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 508.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.5±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 64.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.64
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.64
Polar Surface Area: 118 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 63.1±7.0 dyne/cm
Molar Volume: 185.5±7.0 cm3

Click to predict properties on the Chemicalize site


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